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1000304-35-7 | Bicyclo[3.1.1]heptane-3-carboxylic acid, 2-amino-4,6,6-trimethyl-, hydrochloride (1:1), (1R,2R,3S,4R,5R)-
CAS No: 1000304-35-7 Catalog No: AG0000BL MDL No:
Product Description
Catalog Number:
AG0000BL
Chemical Name:
Bicyclo[3.1.1]heptane-3-carboxylic acid, 2-amino-4,6,6-trimethyl-, hydrochloride (1:1), (1R,2R,3S,4R,5R)-
CAS Number:
1000304-35-7
Molecular Formula:
C11H20ClNO2
Molecular Weight:
233.7350
IUPAC Name:
(1R,2R,3S,4R,5R)-2-amino-4,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H19NO2.ClH/c1-5-6-4-7(11(6,2)3)9(12)8(5)10(13)14;/h5-9H,4,12H2,1-3H3,(H,13,14);1H/t5-,6-,7+,8+,9-;/m1./s1
InChI Key:
SYNATUVUGSQTHV-LUAJHDHPSA-N
SMILES:
OC(=O)[C@H]1[C@H](C)[C@H]2C[C@@H]([C@H]1N)C2(C)C.Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
233.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.736g/mol
Monoisotopic Mass:
233.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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